Chlorine in PDB 7ogn: Crystal Structure of T2R-Ttl -Mebendazole Complex

The structure of Crystal Structure of T2R-Ttl -Mebendazole Complex, PDB code: 7ogn was solved by M.A.Oliva, F.Bonato, J.F.Diaz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.35 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	104.9, 158.01, 179.689, 90, 90, 90
R / Rfree (%)	20.9 / 23.4

The structure of Crystal Structure of T2R-Ttl -Mebendazole Complex also contains other interesting chemical elements:

Calcium	(Ca)	4 atoms
Magnesium	(Mg)	7 atoms

The binding sites of Chlorine atom in the Crystal Structure of T2R-Ttl -Mebendazole Complex (pdb code 7ogn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of T2R-Ttl -Mebendazole Complex, PDB code: 7ogn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of T2R-Ttl -Mebendazole Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of T2R-Ttl -Mebendazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:73.5 occ:1.00 H A:LYS163 2.5 88.6 1.0 HA A:TYR161 2.9 69.0 1.0 HB2 A:LYS163 3.0 93.6 1.0 HG2 A:LYS163 3.1 105.9 1.0 HD2 A:LYS164 3.1 87.3 1.0 N A:LYS163 3.4 87.9 1.0 H A:GLY162 3.4 66.8 1.0 HE2 A:LYS164 3.5 91.5 1.0 N A:GLY162 3.6 67.1 1.0 HD3 A:LYS164 3.6 87.3 1.0 C A:TYR161 3.6 64.0 1.0 CA A:TYR161 3.6 69.0 1.0 CB A:LYS163 3.6 92.9 1.0 CD A:LYS164 3.7 87.9 1.0 CG A:LYS163 3.7 106.0 1.0 H A:LYS164 3.8 82.2 1.0 HG3 A:LYS163 4.0 105.9 1.0 CE A:LYS164 4.0 92.5 1.0 CA A:LYS163 4.0 84.7 1.0 HZ3 A:LYS164 4.1 97.1 1.0 HB3 A:TYR161 4.1 59.7 1.0 O A:TYR161 4.3 57.0 1.0 C A:GLY162 4.4 64.7 1.0 N A:LYS164 4.4 82.0 1.0 CA A:GLY162 4.4 68.7 1.0 CB A:TYR161 4.5 59.2 1.0 HB3 A:LYS163 4.5 93.6 1.0 O A:ASP160 4.6 73.1 1.0 NZ A:LYS164 4.6 97.7 1.0 HD2 A:TYR161 4.6 59.1 1.0 HA3 A:GLY162 4.7 68.6 1.0 C A:LYS163 4.7 73.5 1.0 N A:TYR161 4.7 72.2 1.0 HA A:LYS163 4.9 85.8 1.0 HE3 A:LYS164 4.9 91.5 1.0 HB2 A:LYS164 5.0 65.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of T2R-Ttl -Mebendazole Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of T2R-Ttl -Mebendazole Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl505 b:69.6 occ:1.00 H C:THR94 2.3 45.4 1.0 O C:HOH709 2.8 62.6 1.0 HA C:ILE93 2.8 53.7 1.0 HH22 C:ARG79 2.9 52.3 1.0 O C:HOH633 3.1 56.9 1.0 N C:THR94 3.1 45.5 1.0 HH21 C:ARG79 3.5 52.3 1.0 O C:THR94 3.5 49.4 1.0 NH2 C:ARG79 3.5 52.1 1.0 OG1 C:THR94 3.5 54.3 1.0 HG23 C:ILE93 3.7 56.6 1.0 CA C:ILE93 3.7 54.2 1.0 O C:LEU92 3.8 60.6 1.0 C C:ILE93 3.9 54.8 1.0 CA C:THR94 4.1 44.2 1.0 HG1 C:THR94 4.1 53.6 1.0 C C:THR94 4.2 48.1 1.0 CB C:THR94 4.4 45.8 1.0 CG2 C:ILE93 4.5 57.3 1.0 N C:ILE93 4.6 50.1 1.0 C C:LEU92 4.6 52.1 1.0 CB C:ILE93 4.6 52.5 1.0 HG12 C:ILE93 4.6 58.5 1.0 CZ C:ARG79 4.7 53.2 1.0 HG22 C:ILE93 4.7 56.6 1.0 HG23 C:THR94 4.8 39.8 1.0 HH12 C:ARG121 4.8 72.8 1.0 HH12 C:ARG79 4.8 56.2 1.0 HD21 C:LEU117 4.8 67.4 1.0 HA C:THR94 4.9 44.1 1.0

M.A.Oliva, C.Tosat-Bitrian, L.Barrado-Gil, F.Bonato, I.Galindo, U.Garaigorta, B.Alvarez-Bernad, R.Paris-Ogayar, D.Lucena-Agell, J.F.Gimenez-Abian, I.Garcia-Dorival, J.Urquiza, P.Gastaminza, J.F.Diaz, V.Palomo, C.Alonso. Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci V. 23 2022.
ISSN: ESSN 1422-0067
PubMed: 35408808
DOI: 10.3390/IJMS23073448